SCHEMBL4987910

SCHEMBL4987910

c1ccc(C2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM1A O60341 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 2/20 0.39
DRD2 P14416 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4995180 0.83 MAPT (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4993557 0.82 CCNT1 (0.41) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4992152 0.79 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4997060 0.79 ALDH1A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4997730 0.77 ACVRL1 (0.43) KDM1AMAPTMEN1HPGDKMT2A
SCHEMBL4994812 0.77 RAB9A (0.48) KDM1AMAPTNPC1RAB9ACYP1A2
SCHEMBL4997527 0.77 MAPT (0.48) MAPTNPC1RAB9ADRD2SLC6A4
SCHEMBL4997085 0.77 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4991897 0.75 NEK2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4997051 0.75 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C CHRM2 1774/4885CHRM4 3102/4885CHRM5 816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.